#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:20:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179447 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/44/4334441.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4334441
loop_
_publ_author_name
'Sara Miguel-Fernández'
'Sara Martínez de Salinas'
'Josefina Díez'
'M. Pilar Gamasa'
'Elena Lastra'
_publ_contact_author
;
     Josefina Díez
      Departamento de Química Orgánica e Inorgánica
      Facultad de Química
      Universidad de Oviedo
      Avda. Julián Clavería, 8
      33071 Oviedo
      Spain
;
_publ_contact_author_email       jdv@uniovi.es
_publ_contact_author_fax         '0034 98 5103446'
_publ_contact_author_phone       '0034 98 5102960'
_publ_section_title
;
 1,3-Dipolar Cycloadditions of Ruthenium(II) Azido Complexes with Alkynes
 and Nitriles
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4293
_journal_page_last               4302
_journal_paper_doi               10.1021/ic302264t
_journal_volume                  52
_journal_year                    2013
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C44 H44 N12 Na O11 P Ru S, 2(C3 H6 O)'
_chemical_formula_sum            'C50 H56 N12 Na O13 P Ru S'
_chemical_formula_weight         1220.16
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_cell_angle_alpha                97.852(2)
_cell_angle_beta                 94.281(2)
_cell_angle_gamma                98.419(2)
_cell_formula_units_Z            2
_cell_length_a                   13.3422(3)
_cell_length_b                   14.4554(3)
_cell_length_c                   14.7576(3)
_cell_measurement_reflns_used    21801
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.6325
_cell_measurement_theta_min      3.0345
_cell_volume                     2776.14(10)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_molecular_graphics    'PLATON (Spek, 2007)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR-92 (Altomare et al, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.2640
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device
; 
165 mm Onyx CCD detector in κ-geometry diffractometer
;
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nova (Cu) x-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0252
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29266
_diffrn_reflns_theta_full        74.80
_diffrn_reflns_theta_max         74.80
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    3.606
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82430
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_description       prism
_exptl_crystal_F_000             1260
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.101
_refine_diff_density_min         -1.783
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         10991
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0422
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0732P)²+2.2361P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1209
_reflns_number_gt                10153
_reflns_number_total             10991
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic302264t_si_001_2.cif
_cod_data_source_block           2b
_cod_database_code               4334441
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.4968(2) 0.0590(2) 0.23034(18) 0.0347(6) Uani 1 1 d .
C2 C 0.5026(2) 0.2869(2) 0.1690(2) 0.0384(6) Uani 1 1 d .
H2 H 0.5358 0.3428 0.1531 0.046 Uiso 1 1 calc R
C3 C 0.3981(3) 0.2665(3) 0.1742(2) 0.0485(7) Uani 1 1 d .
H3 H 0.3500 0.3051 0.1629 0.058 Uiso 1 1 calc R
C4 C 0.3804(2) 0.1790(3) 0.1990(2) 0.0473(7) Uani 1 1 d .
H4 H 0.3175 0.1460 0.2080 0.057 Uiso 1 1 calc R
C5 C 0.6423(2) -0.0079(2) 0.04982(19) 0.0387(6) Uani 1 1 d .
H5 H 0.6962 0.0035 0.0142 0.046 Uiso 1 1 calc R
C6 C 0.5727(3) -0.0915(2) 0.0383(2) 0.0451(7) Uani 1 1 d .
H6 H 0.5713 -0.1448 -0.0052 0.054 Uiso 1 1 calc R
C7 C 0.5076(2) -0.0791(2) 0.1033(2) 0.0420(6) Uani 1 1 d .
H7 H 0.4525 -0.1228 0.1130 0.050 Uiso 1 1 calc R
C8 C 0.7198(2) 0.1223(2) 0.38389(19) 0.0408(6) Uani 1 1 d .
H8 H 0.7883 0.1475 0.3988 0.049 Uiso 1 1 calc R
C9 C 0.6572(3) 0.0805(3) 0.4435(2) 0.0519(8) Uani 1 1 d .
H9 H 0.6753 0.0733 0.5039 0.062 Uiso 1 1 calc R
C10 C 0.5646(3) 0.0524(3) 0.3954(2) 0.0496(8) Uani 1 1 d .
H10 H 0.5067 0.0221 0.4168 0.060 Uiso 1 1 calc R
C11 C 0.7305(2) 0.2856(2) -0.06459(19) 0.0353(6) Uani 1 1 d .
C12 C 0.6970(2) 0.3601(2) -0.0123(2) 0.0376(6) Uani 1 1 d .
C13 C 0.6857(3) 0.4556(2) -0.0318(2) 0.0482(7) Uani 1 1 d .
C14 C 0.6173(4) 0.5941(3) 0.0164(3) 0.0703(11) Uani 1 1 d .
H14A H 0.5655 0.5888 -0.0346 0.084 Uiso 1 1 calc R
H14B H 0.6789 0.6316 0.0021 0.084 Uiso 1 1 calc R
C15 C 0.5820(5) 0.6397(4) 0.1026(4) 0.0894(16) Uani 1 1 d .
H15A H 0.6339 0.6447 0.1525 0.134 Uiso 1 1 calc R
H15B H 0.5210 0.6021 0.1160 0.134 Uiso 1 1 calc R
H15C H 0.5685 0.7017 0.0949 0.134 Uiso 1 1 calc R
C16 C 0.7630(2) 0.2720(2) -0.1584(2) 0.0403(6) Uani 1 1 d .
C17 C 0.7359(4) 0.3006(4) -0.3108(3) 0.0761(13) Uani 1 1 d .
H17A H 0.7986 0.3426 -0.3147 0.091 Uiso 1 1 calc R
H17B H 0.7458 0.2362 -0.3310 0.091 Uiso 1 1 calc R
C18 C 0.6537(6) 0.3246(7) -0.3677(4) 0.139(3) Uani 1 1 d .
H18A H 0.6696 0.3186 -0.4304 0.208 Uiso 1 1 calc R
H18B H 0.6448 0.3886 -0.3473 0.208 Uiso 1 1 calc R
H18C H 0.5921 0.2826 -0.3632 0.208 Uiso 1 1 calc R
C19 C 0.9696(2) 0.0947(2) 0.12186(19) 0.0357(6) Uani 1 1 d .
C20 C 1.0559(2) 0.0981(2) 0.0646(2) 0.0397(6) Uani 1 1 d .
C21 C 1.1370(3) 0.1805(3) -0.0449(3) 0.0638(10) Uani 1 1 d .
H21A H 1.1417 0.1241 -0.0872 0.077 Uiso 1 1 calc R
H21B H 1.2002 0.1986 -0.0054 0.077 Uiso 1 1 calc R
C22 C 1.1167(4) 0.2593(4) -0.0966(4) 0.0861(15) Uani 1 1 d .
H22A H 1.0538 0.2404 -0.1352 0.129 Uiso 1 1 calc R
H22B H 1.1712 0.2734 -0.1340 0.129 Uiso 1 1 calc R
H22C H 1.1121 0.3145 -0.0539 0.129 Uiso 1 1 calc R
C23 C 0.9494(2) 0.0497(2) 0.1976(2) 0.0404(6) Uani 1 1 d .
C24 C 1.0045(3) -0.0156(4) 0.2417(3) 0.0676(12) Uani 1 1 d .
C25 C 1.0147(6) -0.1062(6) 0.3683(5) 0.120(3) Uani 1 1 d .
H25A H 0.9683 -0.1313 0.4098 0.144 Uiso 1 1 calc R
H25B H 1.0267 -0.1573 0.3226 0.144 Uiso 1 1 calc R
C26 C 1.1033(6) -0.0581(10) 0.4146(6) 0.191(6) Uani 1 1 d .
H26A H 1.0888 -0.0073 0.4581 0.286 Uiso 1 1 calc R
H26B H 1.1466 -0.0329 0.3718 0.286 Uiso 1 1 calc R
H26C H 1.1370 -0.1003 0.4464 0.286 Uiso 1 1 calc R
C27 C 0.6810(2) 0.3954(2) 0.31468(19) 0.0409(6) Uani 1 1 d .
C28 C 0.6226(3) 0.3552(3) 0.3779(2) 0.0481(7) Uani 1 1 d .
H28 H 0.6391 0.3012 0.3994 0.058 Uiso 1 1 calc R
C29 C 0.5407(3) 0.3941(3) 0.4093(3) 0.0652(10) Uani 1 1 d .
H29 H 0.5026 0.3667 0.4518 0.078 Uiso 1 1 calc R
C30 C 0.5157(4) 0.4739(4) 0.3773(3) 0.0768(13) Uani 1 1 d .
H30 H 0.4604 0.5003 0.3980 0.092 Uiso 1 1 calc R
C31 C 0.5726(4) 0.5145(3) 0.3147(3) 0.0754(13) Uani 1 1 d .
H31 H 0.5558 0.5686 0.2937 0.090 Uiso 1 1 calc R
C32 C 0.6551(3) 0.4754(3) 0.2825(3) 0.0557(9) Uani 1 1 d .
H32 H 0.6926 0.5028 0.2397 0.067 Uiso 1 1 calc R
C33 C 0.8634(2) 0.3285(2) 0.3723(2) 0.0399(6) Uani 1 1 d .
C34 C 0.9393(3) 0.2731(3) 0.3648(3) 0.0537(8) Uani 1 1 d .
H34 H 0.9440 0.2361 0.3090 0.064 Uiso 1 1 calc R
C35 C 1.0085(3) 0.2719(3) 0.4398(3) 0.0662(10) Uani 1 1 d .
H35 H 1.0577 0.2325 0.4345 0.079 Uiso 1 1 calc R
C36 C 1.0047(3) 0.3287(3) 0.5215(3) 0.0681(11) Uani 1 1 d .
H36 H 1.0515 0.3284 0.5714 0.082 Uiso 1 1 calc R
C37 C 0.9324(4) 0.3852(4) 0.5293(3) 0.0694(12) Uani 1 1 d .
H37 H 0.9305 0.4243 0.5845 0.083 Uiso 1 1 calc R
C38 C 0.8610(3) 0.3856(3) 0.4556(2) 0.0544(8) Uani 1 1 d .
H38 H 0.8114 0.4244 0.4622 0.065 Uiso 1 1 calc R
C39 C 0.8644(2) 0.4121(2) 0.2160(2) 0.0401(6) Uani 1 1 d .
C40 C 0.8926(3) 0.5061(2) 0.2570(2) 0.0522(8) Uani 1 1 d .
H40 H 0.8629 0.5287 0.3088 0.063 Uiso 1 1 calc R
C41 C 0.9645(3) 0.5658(3) 0.2211(3) 0.0614(10) Uani 1 1 d .
H41 H 0.9824 0.6285 0.2487 0.074 Uiso 1 1 calc R
C42 C 1.0099(3) 0.5334(3) 0.1447(3) 0.0670(11) Uani 1 1 d .
H42 H 1.0581 0.5740 0.1207 0.080 Uiso 1 1 calc R
C43 C 0.9833(3) 0.4406(3) 0.1043(3) 0.0625(10) Uani 1 1 d .
H43 H 1.0140 0.4184 0.0529 0.075 Uiso 1 1 calc R
C44 C 0.9110(3) 0.3796(2) 0.1398(2) 0.0461(7) Uani 1 1 d .
H44 H 0.8939 0.3168 0.1123 0.055 Uiso 1 1 calc R
C45 C 0.7051(8) 0.8635(6) 0.2840(6) 0.141(3) Uani 1 1 d .
H45A H 0.7488 0.8550 0.2357 0.212 Uiso 1 1 calc R
H45B H 0.7211 0.9272 0.3155 0.212 Uiso 1 1 calc R
H45C H 0.6354 0.8514 0.2582 0.212 Uiso 1 1 calc R
C46 C 0.7204(6) 0.7979(5) 0.3486(7) 0.118(2) Uani 1 1 d .
C47 C 0.6609(14) 0.8008(10) 0.4247(10) 0.267(9) Uani 1 1 d .
H47A H 0.6778 0.7553 0.4625 0.401 Uiso 1 1 calc R
H47B H 0.5900 0.7862 0.4028 0.401 Uiso 1 1 calc R
H47C H 0.6748 0.8629 0.4601 0.401 Uiso 1 1 calc R
C48 C 0.2651(11) 0.3048(17) 0.3870(14) 0.367(7) Uani 1 1 d D
H48A H 0.2624 0.2375 0.3801 0.550 Uiso 1 1 calc R
H48B H 0.2375 0.3260 0.4430 0.550 Uiso 1 1 calc R
H48C H 0.3345 0.3349 0.3891 0.550 Uiso 1 1 calc R
C49 C 0.2048(15) 0.3296(14) 0.3084(14) 0.367(7) Uani 1 1 d D
C50 C 0.1691(11) 0.4090(15) 0.2702(16) 0.367(7) Uani 1 1 d D
H50A H 0.1260 0.3855 0.2143 0.550 Uiso 1 1 calc R
H50B H 0.2266 0.4519 0.2575 0.550 Uiso 1 1 calc R
H50C H 0.1315 0.4416 0.3138 0.550 Uiso 1 1 calc R
N1 N 0.54873(17) 0.21588(17) 0.18980(15) 0.0332(5) Uani 1 1 d .
N2 N 0.47205(17) 0.14847(18) 0.20835(16) 0.0355(5) Uani 1 1 d .
N3 N 0.62142(17) 0.05262(16) 0.11789(15) 0.0319(5) Uani 1 1 d .
N4 N 0.53737(17) 0.00890(17) 0.15198(16) 0.0334(5) Uani 1 1 d .
N5 N 0.66861(17) 0.12145(17) 0.30308(15) 0.0327(5) Uani 1 1 d .
N6 N 0.57219(18) 0.07677(18) 0.31011(15) 0.0358(5) Uani 1 1 d .
N7 N 0.68255(19) 0.33504(17) 0.07100(16) 0.0359(5) Uani 1 1 d .
N8 N 0.70578(18) 0.24827(16) 0.06789(15) 0.0321(5) Uani 1 1 d .
N9 N 0.73575(18) 0.21595(17) -0.01329(15) 0.0331(5) Uani 1 1 d .
N10 N 0.89382(18) 0.14460(17) 0.10669(16) 0.0351(5) Uani 1 1 d .
N11 N 0.83138(17) 0.13036(16) 0.17170(15) 0.0326(5) Uani 1 1 d .
N12 N 0.8625(2) 0.07313(19) 0.22758(17) 0.0403(5) Uani 1 1 d .
O1 O 0.31298(17) -0.02984(19) 0.17298(17) 0.0538(6) Uani 1 1 d .
O2 O 0.34445(19) 0.0404(2) 0.33390(17) 0.0602(7) Uani 1 1 d .
O3 O 0.4143(2) -0.10051(19) 0.27947(19) 0.0604(7) Uani 1 1 d .
O4 O 0.7170(3) 0.4895(2) -0.0955(2) 0.0876(11) Uani 1 1 d .
O5 O 0.6366(2) 0.50128(17) 0.03148(18) 0.0567(6) Uani 1 1 d .
O6 O 0.83153(19) 0.22937(18) -0.17823(16) 0.0522(6) Uani 1 1 d .
O7 O 0.7084(2) 0.3106(2) -0.21666(15) 0.0559(6) Uani 1 1 d .
O8 O 1.12189(18) 0.05011(18) 0.06540(17) 0.0508(5) Uani 1 1 d .
O9 O 1.0515(3) 0.1635(3) 0.0095(2) 0.0831(7) Uani 1 1 d .
O10 O 1.0617(3) -0.0612(3) 0.2060(2) 0.0862(11) Uani 1 1 d .
O11 O 0.9755(3) -0.0274(3) 0.3241(2) 0.0831(7) Uani 1 1 d .
O12 O 0.7726(6) 0.7378(6) 0.3371(7) 0.202(4) Uani 1 1 d .
O13 O 0.1699(9) 0.2552(12) 0.2650(12) 0.367(7) Uani 1 1 d D
Na1 Na 0.84596(9) 0.10541(9) -0.08653(9) 0.0450(3) Uani 1 1 d .
S1 S 0.37705(6) -0.01745(6) 0.25792(5) 0.04624(18) Uani 1 1 d .
Ru1 Ru 0.696705(14) 0.184404(13) 0.185838(12) 0.02722(8) Uani 1 1 d .
P1 P 0.77713(5) 0.32919(5) 0.26896(4) 0.03292(15) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 C1 N6 109.3(2) . .
N2 C1 N4 109.8(2) . .
N6 C1 N4 109.8(2) . .
N2 C1 S1 109.68(19) . .
N6 C1 S1 109.22(18) . .
N4 C1 S1 108.99(19) . .
N1 C2 C3 110.9(3) . .
N1 C2 H2 124.6 . .
C3 C2 H2 124.6 . .
C4 C3 C2 106.3(3) . .
C4 C3 H3 126.8 . .
C2 C3 H3 126.8 . .
C3 C4 N2 107.1(3) . .
C3 C4 H4 126.4 . .
N2 C4 H4 126.4 . .
N3 C5 C6 110.7(3) . .
N3 C5 H5 124.6 . .
C6 C5 H5 124.6 . .
C7 C6 C5 105.9(3) . .
C7 C6 H6 127.1 . .
C5 C6 H6 127.1 . .
C6 C7 N4 107.6(3) . .
C6 C7 H7 126.2 . .
N4 C7 H7 126.2 . .
N5 C8 C9 110.8(3) . .
N5 C8 H8 124.6 . .
C9 C8 H8 124.6 . .
C10 C9 C8 106.0(3) . .
C10 C9 H9 127.0 . .
C8 C9 H9 127.0 . .
C9 C10 N6 107.3(3) . .
C9 C10 H10 126.3 . .
N6 C10 H10 126.3 . .
N9 C11 C12 108.5(2) . .
N9 C11 C16 118.3(3) . .
C12 C11 C16 133.2(3) . .
N7 C12 C11 107.5(2) . .
N7 C12 C13 121.2(3) . .
C11 C12 C13 131.0(3) . .
O4 C13 O5 123.2(3) . .
O4 C13 C12 124.9(3) . .
O5 C13 C12 111.9(3) . .
O5 C14 C15 107.4(4) . .
O5 C14 H14A 110.2 . .
C15 C14 H14A 110.2 . .
O5 C14 H14B 110.2 . .
C15 C14 H14B 110.2 . .
H14A C14 H14B 108.5 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O6 C16 O7 124.7(3) . .
O6 C16 C11 122.8(3) . .
O7 C16 C11 112.5(3) . .
O6 C16 Na1 46.53(15) . .
O7 C16 Na1 154.1(2) . .
C11 C16 Na1 81.40(17) . .
C18 C17 O7 107.5(4) . .
C18 C17 H17A 110.2 . .
O7 C17 H17A 110.2 . .
C18 C17 H17B 110.2 . .
O7 C17 H17B 110.2 . .
H17A C17 H17B 108.5 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N10 C19 C23 107.5(2) . .
N10 C19 C20 120.5(3) . .
C23 C19 C20 131.9(3) . .
O8 C20 O9 123.0(3) . .
O8 C20 C19 126.5(3) . .
O9 C20 C19 110.5(3) . .
O9 C21 C22 106.1(3) . .
O9 C21 H21A 110.5 . .
C22 C21 H21A 110.5 . .
O9 C21 H21B 110.5 . .
C22 C21 H21B 110.5 . .
H21A C21 H21B 108.7 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N12 C23 C19 108.2(2) . .
N12 C23 C24 121.2(3) . .
C19 C23 C24 130.5(3) . .
O10 C24 O11 121.7(3) . .
O10 C24 C23 125.1(3) . .
O11 C24 C23 112.8(3) . .
C26 C25 O11 100.4(8) . .
C26 C25 H25A 111.7 . .
O11 C25 H25A 111.7 . .
C26 C25 H25B 111.7 . .
O11 C25 H25B 111.7 . .
H25A C25 H25B 109.5 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C32 C27 C28 118.8(3) . .
C32 C27 P1 124.2(3) . .
C28 C27 P1 116.5(2) . .
C29 C28 C27 121.2(4) . .
C29 C28 H28 119.4 . .
C27 C28 H28 119.4 . .
C30 C29 C28 119.6(4) . .
C30 C29 H29 120.2 . .
C28 C29 H29 120.2 . .
C31 C30 C29 119.9(4) . .
C31 C30 H30 120.1 . .
C29 C30 H30 120.1 . .
C30 C31 C32 120.8(4) . .
C30 C31 H31 119.6 . .
C32 C31 H31 119.6 . .
C27 C32 C31 119.7(4) . .
C27 C32 H32 120.1 . .
C31 C32 H32 120.1 . .
C34 C33 C38 118.1(3) . .
C34 C33 P1 118.1(2) . .
C38 C33 P1 123.7(3) . .
C33 C34 C35 120.7(4) . .
C33 C34 H34 119.7 . .
C35 C34 H34 119.7 . .
C36 C35 C34 120.2(4) . .
C36 C35 H35 119.9 . .
C34 C35 H35 119.9 . .
C37 C36 C35 119.7(4) . .
C37 C36 H36 120.1 . .
C35 C36 H36 120.1 . .
C36 C37 C38 120.8(4) . .
C36 C37 H37 119.6 . .
C38 C37 H37 119.6 . .
C33 C38 C37 120.5(4) . .
C33 C38 H38 119.8 . .
C37 C38 H38 119.8 . .
C44 C39 C40 118.8(3) . .
C44 C39 P1 120.1(2) . .
C40 C39 P1 120.8(2) . .
C41 C40 C39 120.5(3) . .
C41 C40 H40 119.8 . .
C39 C40 H40 119.8 . .
C42 C41 C40 120.5(4) . .
C42 C41 H41 119.7 . .
C40 C41 H41 119.7 . .
C43 C42 C41 119.5(3) . .
C43 C42 H42 120.3 . .
C41 C42 H42 120.3 . .
C42 C43 C44 120.6(4) . .
C42 C43 H43 119.7 . .
C44 C43 H43 119.7 . .
C39 C44 C43 120.1(3) . .
C39 C44 H44 119.9 . .
C43 C44 H44 119.9 . .
C46 C45 H45A 109.5 . .
C46 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C46 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
O12 C46 C47 118.9(10) . .
O12 C46 C45 123.9(10) . .
C47 C46 C45 116.9(9) . .
C46 C47 H47A 109.5 . .
C46 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C46 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C49 C48 H48A 109.5 . .
C49 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C49 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
O13 C49 C50 113(2) . .
O13 C49 C48 103.7(19) . .
C50 C49 C48 143(2) . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C2 N1 N2 105.2(2) . .
C2 N1 Ru1 135.0(2) . .
N2 N1 Ru1 119.41(17) . .
C4 N2 N1 110.4(2) . .
C4 N2 C1 130.4(3) . .
N1 N2 C1 119.2(2) . .
C5 N3 N4 106.3(2) . .
C5 N3 Ru1 133.7(2) . .
N4 N3 Ru1 119.56(17) . .
C7 N4 N3 109.5(2) . .
C7 N4 C1 131.5(2) . .
N3 N4 C1 118.9(2) . .
C8 N5 N6 105.4(2) . .
C8 N5 Ru1 135.3(2) . .
N6 N5 Ru1 118.67(16) . .
C10 N6 N5 110.4(2) . .
C10 N6 C1 129.9(2) . .
N5 N6 C1 119.7(2) . .
N8 N7 C12 106.1(2) . .
N7 N8 N9 112.5(2) . .
N7 N8 Ru1 118.26(17) . .
N9 N8 Ru1 129.22(18) . .
N8 N9 C11 105.4(2) . .
N8 N9 Na1 142.14(17) . .
C11 N9 Na1 108.33(18) . .
N11 N10 C19 106.0(2) . .
N11 N10 Na1 127.69(17) . .
C19 N10 Na1 103.56(17) . .
N12 N11 N10 112.5(2) . .
N12 N11 Ru1 121.55(18) . .
N10 N11 Ru1 125.88(17) . .
N11 N12 C23 105.8(2) . .
S1 O1 Na1 146.97(15) . 2_655
C13 O5 C14 116.3(3) . .
C16 O6 Na1 112.15(19) . .
C16 O7 C17 115.9(3) . .
C20 O8 Na1 142.5(2) . 2_755
C20 O9 C21 116.3(3) . .
C20 O9 Na1 101.9(2) . .
C21 O9 Na1 118.5(3) . .
C24 O10 Na1 152.8(3) . 2_755
C24 O11 C25 116.7(4) . .
O10 Na1 O8 75.62(10) 2_755 2_755
O10 Na1 O6 78.79(10) 2_755 .
O8 Na1 O6 152.75(10) 2_755 .
O10 Na1 O1 92.09(13) 2_755 2_655
O8 Na1 O1 87.40(10) 2_755 2_655
O6 Na1 O1 84.28(10) . 2_655
O10 Na1 N9 149.35(10) 2_755 .
O8 Na1 N9 133.99(9) 2_755 .
O6 Na1 N9 70.62(8) . .
O1 Na1 N9 83.16(9) 2_655 .
O10 Na1 N10 132.93(11) 2_755 .
O8 Na1 N10 83.19(9) 2_755 .
O6 Na1 N10 121.86(9) . .
O1 Na1 N10 128.77(9) 2_655 .
N9 Na1 N10 68.84(8) . .
O10 Na1 O9 81.46(12) 2_755 .
O8 Na1 O9 82.94(10) 2_755 .
O6 Na1 O9 102.47(10) . .
O1 Na1 O9 169.47(11) 2_655 .
N9 Na1 O9 106.61(10) . .
N10 Na1 O9 54.24(8) . .
O10 Na1 C16 99.20(10) 2_755 .
O8 Na1 C16 163.78(10) 2_755 .
O6 Na1 C16 21.33(8) . .
O1 Na1 C16 77.34(9) 2_655 .
N9 Na1 C16 50.19(8) . .
N10 Na1 C16 110.63(9) . .
O9 Na1 C16 111.79(10) . .
O3 S1 O1 115.23(17) . .
O3 S1 O2 115.47(17) . .
O1 S1 O2 115.45(16) . .
O3 S1 C1 102.67(14) . .
O1 S1 C1 102.00(13) . .
O2 S1 C1 103.12(14) . .
N11 Ru1 N8 93.90(9) . .
N11 Ru1 N1 170.24(9) . .
N8 Ru1 N1 87.61(9) . .
N11 Ru1 N5 92.72(9) . .
N8 Ru1 N5 173.00(9) . .
N1 Ru1 N5 85.48(9) . .
N11 Ru1 N3 86.89(9) . .
N8 Ru1 N3 95.42(9) . .
N1 Ru1 N3 83.36(9) . .
N5 Ru1 N3 82.64(9) . .
N11 Ru1 P1 94.11(7) . .
N8 Ru1 P1 87.46(7) . .
N1 Ru1 P1 95.60(7) . .
N5 Ru1 P1 94.36(7) . .
N3 Ru1 P1 176.89(6) . .
C27 P1 C39 106.47(15) . .
C27 P1 C33 102.52(14) . .
C39 P1 C33 96.44(13) . .
C27 P1 Ru1 109.25(10) . .
C39 P1 Ru1 121.23(10) . .
C33 P1 Ru1 118.71(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.453(4) .
C1 N6 1.459(3) .
C1 N4 1.461(4) .
C1 S1 1.908(3) .
C2 N1 1.331(4) .
C2 C3 1.393(5) .
C2 H2 0.9300 .
C3 C4 1.357(5) .
C3 H3 0.9300 .
C4 N2 1.363(4) .
C4 H4 0.9300 .
C5 N3 1.313(4) .
C5 C6 1.394(4) .
C5 H5 0.9300 .
C6 C7 1.354(5) .
C6 H6 0.9300 .
C7 N4 1.360(4) .
C7 H7 0.9300 .
C8 N5 1.327(4) .
C8 C9 1.394(5) .
C8 H8 0.9300 .
C9 C10 1.355(5) .
C9 H9 0.9300 .
C10 N6 1.359(4) .
C10 H10 0.9300 .
C11 N9 1.346(4) .
C11 C12 1.386(4) .
C11 C16 1.478(4) .
C12 N7 1.347(4) .
C12 C13 1.474(4) .
C13 O4 1.194(4) .
C13 O5 1.337(4) .
C14 O5 1.446(4) .
C14 C15 1.492(7) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 O6 1.207(4) .
C16 O7 1.317(4) .
C16 Na1 3.075(3) .
C17 C18 1.442(8) .
C17 O7 1.456(4) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 N10 1.349(4) .
C19 C23 1.392(4) .
C19 C20 1.477(4) .
C20 O8 1.199(4) .
C20 O9 1.332(4) .
C21 O9 1.454(5) .
C21 C22 1.500(6) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 N12 1.344(4) .
C23 C24 1.468(4) .
C24 O10 1.185(5) .
C24 O11 1.330(5) .
C25 C26 1.362(11) .
C25 O11 1.525(7) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C32 1.387(5) .
C27 C28 1.393(5) .
C27 P1 1.824(3) .
C28 C29 1.383(5) .
C28 H28 0.9300 .
C29 C30 1.379(7) .
C29 H29 0.9300 .
C30 C31 1.377(7) .
C30 H30 0.9300 .
C31 C32 1.394(6) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C34 1.382(5) .
C33 C38 1.388(4) .
C33 P1 1.843(3) .
C34 C35 1.392(5) .
C34 H34 0.9300 .
C35 C36 1.373(6) .
C35 H35 0.9300 .
C36 C37 1.353(7) .
C36 H36 0.9300 .
C37 C38 1.393(5) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 C44 1.385(5) .
C39 C40 1.395(5) .
C39 P1 1.840(3) .
C40 C41 1.379(5) .
C40 H40 0.9300 .
C41 C42 1.377(6) .
C41 H41 0.9300 .
C42 C43 1.376(6) .
C42 H42 0.9300 .
C43 C44 1.391(5) .
C43 H43 0.9300 .
C44 H44 0.9300 .
C45 C46 1.457(11) .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 O12 1.193(9) .
C46 C47 1.422(15) .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 C49 1.476(10) .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 O13 1.185(18) .
C49 C50 1.470(10) .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
N1 N2 1.376(3) .
N1 Ru1 2.093(2) .
N3 N4 1.369(3) .
N3 Ru1 2.100(2) .
N5 N6 1.370(3) .
N5 Ru1 2.095(2) .
N7 N8 1.331(3) .
N8 N9 1.337(3) .
N8 Ru1 2.082(2) .
N9 Na1 2.517(3) .
N10 N11 1.334(3) .
N10 Na1 2.836(3) .
N11 N12 1.331(3) .
N11 Ru1 2.075(2) .
O1 S1 1.438(2) .
O1 Na1 2.420(3) 2_655
O2 S1 1.438(3) .
O3 S1 1.430(3) .
O6 Na1 2.409(3) .
O8 Na1 2.406(3) 2_755
O9 Na1 2.942(4) .
O10 Na1 2.299(3) 2_755
Na1 O10 2.299(3) 2_755
Na1 O8 2.406(3) 2_755
Na1 O1 2.420(3) 2_655
Ru1 P1 2.3412(7) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 C2 C3 C4 -0.2(4) . .
C2 C3 C4 N2 0.1(4) . .
N3 C5 C6 C7 -0.1(4) . .
C5 C6 C7 N4 0.0(4) . .
N5 C8 C9 C10 0.7(4) . .
C8 C9 C10 N6 0.0(4) . .
N9 C11 C12 N7 0.3(3) . .
C16 C11 C12 N7 -177.0(3) . .
N9 C11 C12 C13 174.5(3) . .
C16 C11 C12 C13 -2.8(6) . .
N7 C12 C13 O4 163.6(4) . .
C11 C12 C13 O4 -9.9(6) . .
N7 C12 C13 O5 -15.7(5) . .
C11 C12 C13 O5 170.7(3) . .
N9 C11 C16 O6 -34.3(5) . .
C12 C11 C16 O6 142.8(4) . .
N9 C11 C16 O7 145.2(3) . .
C12 C11 C16 O7 -37.8(5) . .
N9 C11 C16 Na1 -12.0(2) . .
C12 C11 C16 Na1 165.0(3) . .
N10 C19 C20 O8 -172.1(3) . .
C23 C19 C20 O8 11.1(6) . .
N10 C19 C20 O9 7.9(4) . .
C23 C19 C20 O9 -168.9(4) . .
N10 C19 C23 N12 -0.3(4) . .
C20 C19 C23 N12 176.8(3) . .
N10 C19 C23 C24 177.6(4) . .
C20 C19 C23 C24 -5.3(6) . .
N12 C23 C24 O10 156.4(5) . .
C19 C23 C24 O10 -21.2(8) . .
N12 C23 C24 O11 -16.4(6) . .
C19 C23 C24 O11 165.9(4) . .
C32 C27 C28 C29 -0.6(5) . .
P1 C27 C28 C29 -173.0(3) . .
C27 C28 C29 C30 0.3(6) . .
C28 C29 C30 C31 -0.3(7) . .
C29 C30 C31 C32 0.5(8) . .
C28 C27 C32 C31 0.9(6) . .
P1 C27 C32 C31 172.6(3) . .
C30 C31 C32 C27 -0.8(7) . .
C38 C33 C34 C35 2.5(5) . .
P1 C33 C34 C35 178.1(3) . .
C33 C34 C35 C36 -2.4(6) . .
C34 C35 C36 C37 0.7(7) . .
C35 C36 C37 C38 0.8(7) . .
C34 C33 C38 C37 -1.0(6) . .
P1 C33 C38 C37 -176.3(3) . .
C36 C37 C38 C33 -0.7(7) . .
C44 C39 C40 C41 1.1(5) . .
P1 C39 C40 C41 174.6(3) . .
C39 C40 C41 C42 -0.4(6) . .
C40 C41 C42 C43 -0.2(7) . .
C41 C42 C43 C44 0.2(7) . .
C40 C39 C44 C43 -1.1(5) . .
P1 C39 C44 C43 -174.7(3) . .
C42 C43 C44 C39 0.5(6) . .
C3 C2 N1 N2 0.2(3) . .
C3 C2 N1 Ru1 172.7(2) . .
C3 C4 N2 N1 0.1(4) . .
C3 C4 N2 C1 -177.4(3) . .
C2 N1 N2 C4 -0.2(3) . .
Ru1 N1 N2 C4 -174.1(2) . .
C2 N1 N2 C1 177.6(2) . .
Ru1 N1 N2 C1 3.7(3) . .
N6 C1 N2 C4 -125.0(3) . .
N4 C1 N2 C4 114.5(3) . .
S1 C1 N2 C4 -5.2(4) . .
N6 C1 N2 N1 57.7(3) . .
N4 C1 N2 N1 -62.8(3) . .
S1 C1 N2 N1 177.46(18) . .
C6 C5 N3 N4 0.1(3) . .
C6 C5 N3 Ru1 172.4(2) . .
C6 C7 N4 N3 0.0(3) . .
C6 C7 N4 C1 -178.8(3) . .
C5 N3 N4 C7 -0.1(3) . .
Ru1 N3 N4 C7 -173.66(19) . .
C5 N3 N4 C1 178.9(2) . .
Ru1 N3 N4 C1 5.3(3) . .
N2 C1 N4 C7 -124.1(3) . .
N6 C1 N4 C7 115.7(3) . .
S1 C1 N4 C7 -3.9(4) . .
N2 C1 N4 N3 57.2(3) . .
N6 C1 N4 N3 -63.0(3) . .
S1 C1 N4 N3 177.37(18) . .
C9 C8 N5 N6 -1.1(4) . .
C9 C8 N5 Ru1 169.3(2) . .
C9 C10 N6 N5 -0.7(4) . .
C9 C10 N6 C1 176.7(3) . .
C8 N5 N6 C10 1.2(3) . .
Ru1 N5 N6 C10 -171.2(2) . .
C8 N5 N6 C1 -176.5(3) . .
Ru1 N5 N6 C1 11.1(3) . .
N2 C1 N6 C10 115.6(3) . .
N4 C1 N6 C10 -123.8(3) . .
S1 C1 N6 C10 -4.4(4) . .
N2 C1 N6 N5 -67.2(3) . .
N4 C1 N6 N5 53.4(3) . .
S1 C1 N6 N5 172.8(2) . .
C11 C12 N7 N8 -0.5(3) . .
C13 C12 N7 N8 -175.4(3) . .
C12 N7 N8 N9 0.7(3) . .
C12 N7 N8 Ru1 178.50(18) . .
N7 N8 N9 C11 -0.5(3) . .
Ru1 N8 N9 C11 -178.05(19) . .
N7 N8 N9 Na1 151.9(2) . .
Ru1 N8 N9 Na1 -25.7(4) . .
C12 C11 N9 N8 0.1(3) . .
C16 C11 N9 N8 177.8(2) . .
C12 C11 N9 Na1 -162.41(19) . .
C16 C11 N9 Na1 15.3(3) . .
C23 C19 N10 N11 0.5(3) . .
C20 C19 N10 N11 -177.0(3) . .
C23 C19 N10 Na1 -135.8(2) . .
C20 C19 N10 Na1 46.7(3) . .
C19 N10 N11 N12 -0.6(3) . .
Na1 N10 N11 N12 121.4(2) . .
C19 N10 N11 Ru1 -178.29(19) . .
Na1 N10 N11 Ru1 -56.3(3) . .
N10 N11 N12 C23 0.4(3) . .
Ru1 N11 N12 C23 178.2(2) . .
C19 C23 N12 N11 -0.1(3) . .
C24 C23 N12 N11 -178.2(3) . .
O4 C13 O5 C14 3.5(6) . .
C12 C13 O5 C14 -177.2(3) . .
C15 C14 O5 C13 -168.6(4) . .
O7 C16 O6 Na1 -148.3(3) . .
C11 C16 O6 Na1 31.1(4) . .
O6 C16 O7 C17 -0.8(5) . .
C11 C16 O7 C17 179.8(3) . .
Na1 C16 O7 C17 -61.5(6) . .
C18 C17 O7 C16 165.5(5) . .
O9 C20 O8 Na1 -146.1(3) . 2_755
C19 C20 O8 Na1 33.9(6) . 2_755
O8 C20 O9 C21 -5.4(6) . .
C19 C20 O9 C21 174.6(3) . .
O8 C20 O9 Na1 125.0(3) . .
C19 C20 O9 Na1 -54.9(3) . .
C22 C21 O9 C20 -177.3(4) . .
C22 C21 O9 Na1 60.7(5) . .
O11 C24 O10 Na1 178.3(6) . 2_755
C23 C24 O10 Na1 6.0(13) . 2_755
O10 C24 O11 C25 -3.2(8) . .
C23 C24 O11 C25 169.9(5) . .
C26 C25 O11 C24 89.5(7) . .
C16 O6 Na1 O10 162.8(3) . 2_755
C16 O6 Na1 O8 142.5(3) . 2_755
C16 O6 Na1 O1 69.6(2) . 2_655
C16 O6 Na1 N9 -15.2(2) . .
C16 O6 Na1 N10 -63.2(3) . .
C16 O6 Na1 O9 -118.6(2) . .
N8 N9 Na1 O10 -156.9(3) . 2_755
C11 N9 Na1 O10 -5.0(4) . 2_755
N8 N9 Na1 O8 40.9(3) . 2_755
C11 N9 Na1 O8 -167.24(18) . 2_755
N8 N9 Na1 O6 -153.1(3) . .
C11 N9 Na1 O6 -1.24(18) . .
N8 N9 Na1 O1 120.6(3) . 2_655
C11 N9 Na1 O1 -87.56(19) . 2_655
N8 N9 Na1 N10 -15.7(3) . .
C11 N9 Na1 N10 136.2(2) . .
N8 N9 Na1 O9 -55.4(3) . .
C11 N9 Na1 O9 96.45(19) . .
N8 N9 Na1 C16 -160.2(3) . .
C11 N9 Na1 C16 -8.36(17) . .
N11 N10 Na1 O10 -148.5(2) . 2_755
C19 N10 Na1 O10 -25.5(3) . 2_755
N11 N10 Na1 O8 -85.4(2) . 2_755
C19 N10 Na1 O8 37.54(18) . 2_755
N11 N10 Na1 O6 106.1(2) . .
C19 N10 Na1 O6 -130.94(18) . .
N11 N10 Na1 O1 -4.3(3) . 2_655
C19 N10 Na1 O1 118.66(19) . 2_655
N11 N10 Na1 N9 57.4(2) . .
C19 N10 Na1 N9 -179.7(2) . .
N11 N10 Na1 O9 -171.6(3) . .
C19 N10 Na1 O9 -48.65(18) . .
N11 N10 Na1 C16 85.8(2) . .
C19 N10 Na1 C16 -151.23(18) . .
C20 O9 Na1 O10 -107.6(2) . 2_755
C21 O9 Na1 O10 21.4(3) . 2_755
C20 O9 Na1 O8 -31.2(2) . 2_755
C21 O9 Na1 O8 97.9(3) . 2_755
C20 O9 Na1 O6 175.9(2) . .
C21 O9 Na1 O6 -55.0(3) . .
C20 O9 Na1 O1 -54.9(6) . 2_655
C21 O9 Na1 O1 74.1(6) . 2_655
C20 O9 Na1 N9 102.7(2) . .
C21 O9 Na1 N9 -128.2(3) . .
C20 O9 Na1 N10 55.5(2) . .
C21 O9 Na1 N10 -175.5(3) . .
C20 O9 Na1 C16 155.8(2) . .
C21 O9 Na1 C16 -75.1(3) . .
O6 C16 Na1 O10 -17.0(3) . 2_755
O7 C16 Na1 O10 64.1(5) . 2_755
C11 C16 Na1 O10 -171.0(2) . 2_755
O6 C16 Na1 O8 -86.9(4) . 2_755
O7 C16 Na1 O8 -5.8(7) . 2_755
C11 C16 Na1 O8 119.1(3) . 2_755
O7 C16 Na1 O6 81.1(5) . .
C11 C16 Na1 O6 -153.9(3) . .
O6 C16 Na1 O1 -107.1(2) . 2_655
O7 C16 Na1 O1 -26.0(5) . 2_655
C11 C16 Na1 O1 98.92(18) . 2_655
O6 C16 Na1 N9 161.2(3) . .
O7 C16 Na1 N9 -117.7(5) . .
C11 C16 Na1 N9 7.30(15) . .
O6 C16 Na1 N10 125.9(2) . .
O7 C16 Na1 N10 -153.0(5) . .
C11 C16 Na1 N10 -28.03(19) . .
O6 C16 Na1 O9 67.4(3) . .
O7 C16 Na1 O9 148.5(5) . .
C11 C16 Na1 O9 -86.57(18) . .
Na1 O1 S1 O3 64.6(3) 2_655 .
Na1 O1 S1 O2 -74.0(3) 2_655 .
Na1 O1 S1 C1 175.0(3) 2_655 .
N2 C1 S1 O3 -178.9(2) . .
N6 C1 S1 O3 -59.1(2) . .
N4 C1 S1 O3 60.8(2) . .
N2 C1 S1 O1 61.5(2) . .
N6 C1 S1 O1 -178.7(2) . .
N4 C1 S1 O1 -58.8(2) . .
N2 C1 S1 O2 -58.6(2) . .
N6 C1 S1 O2 61.3(2) . .
N4 C1 S1 O2 -178.8(2) . .
N12 N11 Ru1 N8 -174.5(2) . .
N10 N11 Ru1 N8 3.0(2) . .
N12 N11 Ru1 N1 -76.0(5) . .
N10 N11 Ru1 N1 101.6(5) . .
N12 N11 Ru1 N5 3.2(2) . .
N10 N11 Ru1 N5 -179.3(2) . .
N12 N11 Ru1 N3 -79.3(2) . .
N10 N11 Ru1 N3 98.2(2) . .
N12 N11 Ru1 P1 97.7(2) . .
N10 N11 Ru1 P1 -84.7(2) . .
N7 N8 Ru1 N11 -137.6(2) . .
N9 N8 Ru1 N11 39.8(2) . .
N7 N8 Ru1 N1 52.0(2) . .
N9 N8 Ru1 N1 -130.5(2) . .
N7 N8 Ru1 N5 61.6(8) . .
N9 N8 Ru1 N5 -121.0(7) . .
N7 N8 Ru1 N3 135.1(2) . .
N9 N8 Ru1 N3 -47.4(2) . .
N7 N8 Ru1 P1 -43.69(19) . .
N9 N8 Ru1 P1 133.7(2) . .
C2 N1 Ru1 N11 -134.4(5) . .
N2 N1 Ru1 N11 37.2(6) . .
C2 N1 Ru1 N8 -35.3(3) . .
N2 N1 Ru1 N8 136.36(19) . .
C2 N1 Ru1 N5 145.9(3) . .
N2 N1 Ru1 N5 -42.47(19) . .
C2 N1 Ru1 N3 -131.0(3) . .
N2 N1 Ru1 N3 40.62(19) . .
C2 N1 Ru1 P1 51.9(3) . .
N2 N1 Ru1 P1 -136.43(18) . .
C8 N5 Ru1 N11 54.8(3) . .
N6 N5 Ru1 N11 -135.7(2) . .
C8 N5 Ru1 N8 -144.4(6) . .
N6 N5 Ru1 N8 25.1(8) . .
C8 N5 Ru1 N1 -134.8(3) . .
N6 N5 Ru1 N1 34.7(2) . .
C8 N5 Ru1 N3 141.3(3) . .
N6 N5 Ru1 N3 -49.2(2) . .
C8 N5 Ru1 P1 -39.6(3) . .
N6 N5 Ru1 P1 129.99(19) . .
C5 N3 Ru1 N11 -37.5(3) . .
N4 N3 Ru1 N11 134.0(2) . .
C5 N3 Ru1 N8 56.2(3) . .
N4 N3 Ru1 N8 -132.38(19) . .
C5 N3 Ru1 N1 143.1(3) . .
N4 N3 Ru1 N1 -45.43(19) . .
C5 N3 Ru1 N5 -130.6(3) . .
N4 N3 Ru1 N5 40.85(19) . .
C5 N3 Ru1 P1 -146.2(11) . .
N4 N3 Ru1 P1 25.2(13) . .
C32 C27 P1 C39 24.1(3) . .
C28 C27 P1 C39 -164.0(2) . .
C32 C27 P1 C33 124.8(3) . .
C28 C27 P1 C33 -63.3(3) . .
C32 C27 P1 Ru1 -108.4(3) . .
C28 C27 P1 Ru1 63.5(3) . .
C44 C39 P1 C27 -147.7(3) . .
C40 C39 P1 C27 38.9(3) . .
C44 C39 P1 C33 107.2(3) . .
C40 C39 P1 C33 -66.2(3) . .
C44 C39 P1 Ru1 -22.1(3) . .
C40 C39 P1 Ru1 164.4(2) . .
C34 C33 P1 C27 171.8(3) . .
C38 C33 P1 C27 -12.9(3) . .
C34 C33 P1 C39 -79.7(3) . .
C38 C33 P1 C39 95.6(3) . .
C34 C33 P1 Ru1 51.4(3) . .
C38 C33 P1 Ru1 -133.4(3) . .
N11 Ru1 P1 C27 -170.25(12) . .
N8 Ru1 P1 C27 96.02(12) . .
N1 Ru1 P1 C27 8.67(12) . .
N5 Ru1 P1 C27 -77.21(12) . .
N3 Ru1 P1 C27 -61.7(12) . .
N11 Ru1 P1 C39 65.49(14) . .
N8 Ru1 P1 C39 -28.24(14) . .
N1 Ru1 P1 C39 -115.59(14) . .
N5 Ru1 P1 C39 158.54(14) . .
N3 Ru1 P1 C39 174.1(12) . .
N11 Ru1 P1 C33 -53.31(13) . .
N8 Ru1 P1 C33 -147.04(13) . .
N1 Ru1 P1 C33 125.61(13) . .
N5 Ru1 P1 C33 39.74(13) . .
N3 Ru1 P1 C33 55.3(12) . .
